Methyl β-D-xylopyranoside
Properties
- Molecular formula
- C6H12O5
- Molar mass
- 164.16 g/mol
- Exact mass
- 164.0685 Da
- Density
- 1.4 g/mL
- Melting point
- 157 °C
- logP
- -1.93Crippen estimate
- Polar surface area
- 79.2 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 1
- Stereocentres
- R, R, S, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
612-05-5SMILES
CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OInChIKey
ZBDGHWFPLXXWRD-JGWLITMVSA-NInChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- β-D-Xylopyranoside, methyl
- Xylopyranoside, methyl, β-D-
- Methyl β-D-xyloside
- NSC 170227
- Methyl xyloside
- Methyl beta-D-xylopyranoside
Work with Methyl β-D-xylopyranoside
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
D-Arabinopyranose28697-53-250 % similar
α-D-Xylopyranose31178-70-850 % similar
Alpha-D-Xylopyranose6763-34-450 % similar
β-L-Arabinopyranose7296-56-250 % similar
L-Arabinopyranose87-72-950 % similar
Xylotriose47592-59-649 % similar
Isomaltitol534-73-647 % similar
Isomalt64519-82-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.